============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 4 0.900 133.607 107.295 39.489 -99.200 -91.000 PHE 12 1.000 125.417 117.381 39.885 -99.200 -91.000 TYR 27 0.840 111.795 113.947 26.582 -99.200 -91.000 PHE 32 1.000 108.724 117.069 31.433 -99.200 -91.000 PHE 48 1.000 121.714 117.862 30.428 -99.200 -91.000 TYR 52 0.840 108.165 121.437 37.260 -99.200 -91.000 HIS 62 0.900 119.881 105.003 37.400 -99.200 -91.000 TYR 72 0.840 127.511 107.930 37.605 -99.200 -91.000 PHE 80 1.000 129.660 116.963 42.907 -99.200 -91.000 HIS 97 0.900 94.007 91.281 38.434 -99.200 -91.000 PHE 120 1.000 121.212 95.970 58.717 -99.200 -91.000 HIS 123 0.900 122.756 89.436 60.708 -99.200 -91.000 PHE 125 1.000 119.045 98.689 54.916 -99.200 -91.000 PHE 131 1.000 104.674 107.704 55.188 -99.200 -91.000 PHE 154 1.000 114.543 90.392 42.583 -99.200 -91.000 PHE 159 1.000 117.085 93.035 30.350 -99.200 -91.000 TYR 160 0.840 119.785 89.586 28.177 -99.200 -91.000 PHE 167 1.000 111.556 87.017 35.513 -99.200 -91.000 TYR 173 0.840 106.830 85.149 49.040 -99.200 -91.000 TYR 186 0.840 114.477 102.692 47.613 -99.200 -91.000 PHE 192 1.000 127.925 106.913 51.901 -99.200 -91.000 HIS 205 0.900 102.331 91.564 32.729 -99.200 -91.000 HIS 209 0.900 105.286 86.396 26.533 -99.200 -91.000 PHE 221 1.000 111.301 109.790 30.557 -99.200 -91.000